(3R)-3-amino-1-methyl-3H-azepin-2-one

C7H10N2O — CID 162732977

IUPAC(3R)-3-amino-1-methyl-3H-azepin-2-one
SMILESCN1C=CC=C[C@@H](N)C1=O
InChIInChI=1S/C7H10N2O/c1-9-5-3-2-4-6(8)7(9)10/h2-6H,8H2,1H3/t6-/m1/s1
InChIKeyZDZCWAIYXNOEHP-ZCFIWIBFSA-N
MW138.17 g/mol
LogP-0.14
Rot. Bonds

About (3R)-3-amino-1-methyl-3H-azepin-2-one

(3R)-3-amino-1-methyl-3H-azepin-2-one (PubChem CID 162732977) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (3R)-3-amino-1-methyl-3H-azepin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-methyl-3H-azepin-2-one
PubChem CID162732977
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(3R)-3-amino-1-methyl-3H-azepin-2-one
SMILESCN1C=CC=C[C@@H](N)C1=O
InChIInChI=1S/C7H10N2O/c1-9-5-3-2-4-6(8)7(9)10/h2-6H,8H2,1H3/t6-/m1/s1
InChIKeyZDZCWAIYXNOEHP-ZCFIWIBFSA-N
XLogP-0.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-1-methyl-3H-azepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-hydroxy-3H-azepin-2-one
CID 70235739
3-amino-3H-oxepin-2-one
CID 70680429
3-amino-1,5-dimethylpyridine-2,4-dione
CID 122473587
(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
CID 95733150
2-amino-8-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one;hydrochloride
CID 67874624
(1-methyl-2H-pyridin-2-yl)-phenylmethanone
CID 19788053
6-sulfonylcyclohexa-2,4-dien-1-amine
CID 87974308
1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one
CID 163648674
5-amino-3-methyl-5H-isoquinolin-1-one
CID 75965953
3-amino-1-methylazetidin-2-one
CID 70338843
2-acetyl-4-methyl-1,4-thiazin-3-one
CID 10749696
3-amino-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
CID 22312383

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-methyl-3H-azepin-2-one?
The IUPAC name of (3R)-3-amino-1-methyl-3H-azepin-2-one (CID 162732977) is (3R)-3-amino-1-methyl-3H-azepin-2-one.
What is the SMILES notation for (3R)-3-amino-1-methyl-3H-azepin-2-one?
The canonical SMILES for (3R)-3-amino-1-methyl-3H-azepin-2-one is CN1C=CC=C[C@@H](N)C1=O.
What is the InChIKey of (3R)-3-amino-1-methyl-3H-azepin-2-one?
The InChIKey is ZDZCWAIYXNOEHP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9-5-3-2-4-6(8)7(9)10/h2-6H,8H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-amino-1-methyl-3H-azepin-2-one?
(3R)-3-amino-1-methyl-3H-azepin-2-one has a molecular weight of 138.17 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-methyl-3H-azepin-2-one is sourced from PubChem (CID 162732977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).